CID 131753452
1-myristoyl-2-palmitoleoyl-3-vaccenoyl-glycerol
Structural Information
- Molecular Formula
- C51H94O6
- SMILES
- CCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
- InChI
- InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h19-20,22-23,48H,4-18,21,24-47H2,1-3H3/b22-19-,23-20-/t48-/m0/s1
- InChIKey
- VLTXXJQUPVJCLC-ALPLOHNWSA-N
- Compound name
- [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-tetradecanoyloxypropyl] (Z)-octadec-11-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 803.71228 | 307.4 |
[M+Na]+ | 825.69422 | 307.3 |
[M+NH4]+ | 820.73882 | 309.6 |
[M+K]+ | 841.66816 | 310.2 |
[M-H]- | 801.69772 | 291.4 |
[M+Na-2H]- | 823.67967 | 302.8 |
[M]+ | 802.70445 | 304.0 |
[M]- | 802.70555 | 304.0 |
Literature stripe
Patent stripe
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